2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine

C12H14BrF2N — CID 115052625

IUPAC2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine
SMILESCC1(c2ccccc2Br)CC(F)(F)CCN1
InChIInChI=1S/C12H14BrF2N/c1-11(8-12(14,15)6-7-16-11)9-4-2-3-5-10(9)13/h2-5,16H,6-8H2,1H3
InChIKeyXCOGXJJPFYKTCT-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.68
Rot. Bonds1

About 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine

2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine (PubChem CID 115052625) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine
PubChem CID115052625
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine
SMILESCC1(c2ccccc2Br)CC(F)(F)CCN1
InChIInChI=1S/C12H14BrF2N/c1-11(8-12(14,15)6-7-16-11)9-4-2-3-5-10(9)13/h2-5,16H,6-8H2,1H3
InChIKeyXCOGXJJPFYKTCT-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine?
The IUPAC name of 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine (CID 115052625) is 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine.
What is the SMILES notation for 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine?
The canonical SMILES for 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine is CC1(c2ccccc2Br)CC(F)(F)CCN1.
What is the InChIKey of 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine?
The InChIKey is XCOGXJJPFYKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c1-11(8-12(14,15)6-7-16-11)9-4-2-3-5-10(9)13/h2-5,16H,6-8H2,1H3.
What are the key properties of 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine?
2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine has a molecular weight of 290.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4,4-difluoro-2-methylpiperidine is sourced from PubChem (CID 115052625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).